Crystallography Open Database

Information card for entry 7209979

7209978 << 7209979 >> 7209980

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Coordinates	7209979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H5 I N2
Calculated formula	C2.9988 H4.998 I N1.9992
Title of publication	Synthesis, crystal structure and phase transitions of a series of imidazolium iodides
Authors of publication	Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	28
Pages of publication	5633
a	7.8956 ± 0.0009 Å
b	7.8956 ± 0.0009 Å
c	8.0774 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	436.09 ± 0.11 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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